2-(4-bromanylphenoxy)-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[(1-propyltetrazol-5-yl)carbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[(1-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[(1-propyltetrazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[(1-propyltetrazol-5-yl)thiocarbamoyl]acetamide Formula: C13H15BrN6O2S MolecularWeight: 399.2662

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)NC(=S)NC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

CCCN1C(=NN=N1)NC(=S)NC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H15BrN6O2S/c1-2-7-20-12(17-18-19-20)16-13(23)15-11(21)8-22-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H2,15,16,17,19,21,23)